N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide

C13H21FN2O2S — CID 62008245

IUPACN-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H21FN2O2S/c1-5-13(3,9-15)16(4)19(17,18)12-7-6-11(14)8-10(12)2/h6-8H,5,9,15H2,1-4H3
InChIKeyKSOZJIOCBZXYFE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.88
Rot. Bonds5

About N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide

N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide (PubChem CID 62008245) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
PubChem CID62008245
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H21FN2O2S/c1-5-13(3,9-15)16(4)19(17,18)12-7-6-11(14)8-10(12)2/h6-8H,5,9,15H2,1-4H3
InChIKeyKSOZJIOCBZXYFE-UHFFFAOYSA-N
XLogP1.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide (CID 62008245) is N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide is CCC(C)(CN)N(C)S(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide?
The InChIKey is KSOZJIOCBZXYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-5-13(3,9-15)16(4)19(17,18)12-7-6-11(14)8-10(12)2/h6-8H,5,9,15H2,1-4H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 62008245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).